chempirical

1-Adamantylthiol

C10H16SCAS 34301-54-7168.30 g/mol

Open in Covalent MOL file
HS
Thiol

Properties

Molecular formula
C10H16S
Molar mass
168.30 g/mol
Exact mass
168.0973 Da
logP
2.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
34301-54-7
SMILES
C1C2CC3CC1CC(C2)(C3)S
InChIKey
ADJJLNODXLXTIH-UHFFFAOYSA-N
InChI
InChI=1S/C10H16S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

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Names and synonyms

1 names
  • 1-Adamantanethiol

Work with 1-Adamantylthiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Di-1-adamantylphosphine131211-27-340 % similar 1-Bromoadamantane768-90-140 % similar Amantadine768-94-540 % similar 1-Adamantanol768-95-640 % similar 1-Chloroadamantane935-56-840 % similar Tricyclo[3.3.1.13,7]decane-1-methanamine17768-41-136 % similar 1-Ethyladamantane770-69-436 % similar Tricyclo[3.3.1.13,7]decane-1-methanol770-71-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Poly(3-hexylthiophene)104934-50-1 3-Hexylthiophene1693-86-3 2-Hexylthiophene18794-77-9 2-Butyl-5-ethylthiophene54411-06-2

Elsewhere

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